0 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 NOCCNC1=CC=CC=C1 AT21708 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26000 [0,1,0,0,0,0|2,0,0]=3 5 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26001 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26002 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.42 [C-]#[N+]CC(=O)OCC1=CC=CC=C1 AC8601 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 D76053 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.10 O=C1CC[C@@H](C2=CC=NC=C2)N1 AT26736 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [0,0,0,1,0,0|1,0,0]=2 11 B13R2.10 O=C1NC[C@@H](C2=NC=CC=C2)N1 AC4396 [0,0,0,1,0,0|3,0,0]=4 12 B11R1.25 COC(=O)CCC1=NNC=C1 AT26456 [0,0,0,0,1,0|2,0,0]=3 13 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,0,0,0,1,0|2,0,0]=3 14 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,0,0,0,1,0|1,0,0]=2 15 B11R1.40 COC(=O)CC1=NN=CC=C1 37155 [0,0,0,0,1,0|2,0,0]=3 16 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 D74777 [1,1,0,0,0,0|0,0,2]=4 17 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O Y14572 [1,1,0,0,0,0|2,0,0]=4 19 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11623 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 75062 [1,1,0,0,0,0|1,0,0]=3 21 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CN=C1 AT22955 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CN=C1 AT22956 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CN=C1 AT26008 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.125 O=C(O)CCC1=CC=CN=C1Br F30825 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.226 CC(=O)NCC1=NC(N)=CC=C1 D79722 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 AT21880 [0,1,0,0,1,0|1,0,0]=3 27 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 AT21881 [0,1,0,0,1,0|1,0,0]=3 28 B12R1.34 COC(=O)[C@H](C)C1=NC=CC=C1 AT23841 [0,1,0,0,1,0|1,0,0]=3 29 B12R1.50 COC(=O)CC1=CC(Cl)=CN=C1 AT23279 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.50 COC(=O)CC1=CC=NC(Cl)=N1 AT12431 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 78583 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.371 COC(=O)CC1=CC=CN=C1Cl AT23266 [0,1,0,0,1,0|1,0,0]=3 33 B14R1.520 CCOC(=O)CCCC1=NC=CC=N1 D76460 [0,1,0,0,0,1|2,0,0]=4 34 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 61580 [0,1,0,0,0,1|0,0,1]=3 35 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Br)=C1 N13152 [0,2,0,0,0,0|0,0,0]=2 36 B14R1.85 COC(=O)[C@@H](N)C(=O)C1=CC=CC=C1 93051 [0,2,0,0,0,0|0,0,1]=3 37 B14R1.85 COC(=O)[C@@H](N)C(=O)C1=CC=CC=C1 93052 [0,2,0,0,0,0|0,0,1]=3 38 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 F19535 [0,2,0,0,0,0|0,0,0]=2 39 B14R1.727 COC(=O)COC1=CN=C(Cl)C=C1N AC4913 [0,2,0,0,0,0|2,0,0]=4 40 B14R1.77 COC(=O)CCC1=CC(CO)=CC=C1 D78756 [0,2,0,0,0,0|0,0,0]=2 41 B14R1.820 COC(=O)CCC1=CC(F)=CN=C1N D74350 [0,2,0,0,0,0|1,0,0]=3 42 B14R1.156 O=CCNC(=O)OCC1=CC=CC=C1 AT22787 [0,2,0,0,0,0|2,0,0]=4 43 B14R1.1007 COC(=O)[C@@H](Br)CC1=C(Cl)C=CC=C1 D75954 [0,2,0,0,0,0|0,0,0]=2 44 B14R1.1007 COC(=O)[C@@H](N)CC1=C(C)C=CC=C1 D74765 [0,2,0,0,0,0|0,0,0]=2 45 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22268 [1,0,0,1,0,0|1,0,1]=4 46 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22269 [1,0,0,1,0,0|1,0,1]=4 47 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E71447 [1,0,0,1,0,0|1,0,1]=4 48 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 P15109 [1,0,0,1,0,0|1,0,1]=4 51 B12R2.22 Br[C@H]1C[C@@H](C2=CC=CC=C2)C1 AT21926 [1,0,0,1,0,0|1,0,1]=4 52 B12R2.22 Br[C@H]1C[C@H](C2=CC=CC=C2)C1 AT21928 [1,0,0,1,0,0|1,0,1]=4 53 B12R2.22 O=C1CC(C2=CC=NC=C2)C1 F53800 [1,0,0,1,0,0|1,0,0]=3 54 B12R2.24 O=C1CC2=C(C=CN=C2)CN1 86460 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.24 O=C1CCC2=C(C=NC=C2)N1 AC7087 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [1,0,0,1,0,0|0,0,0]=2 57 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [1,0,0,1,0,0|1,0,0]=3 58 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 AT19643 [0,0,0,1,0,1|0,0,0]=2 59 B14R2.68 O=C1NN=C(C2=CC=CC=C2)CO1 D76100 [0,0,0,1,0,1|1,0,1]=4 60 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CN=CC=C2 F50025 [0,0,0,1,0,1|1,0,0]=3 61 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CN=CC=C2 F50055 [0,0,0,1,0,1|1,0,0]=3 62 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72643 [0,1,0,1,0,0|1,0,0]=3 63 B14R2.21 O=C1CCC[C@H](C2=CC=NC=C2)C1 79704 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.21 O=C1CCC[C@H](C2=CN=CC=C2)C1 79669 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.20 O=C1CC[C@H](C2=CC=C(Cl)C=C2)C1 53473 [0,1,0,1,0,0|1,0,0]=3 66 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 53470 [0,1,0,1,0,0|1,0,0]=3 67 B14R2.22 O=C1CC[C@@H](C2=CC=CC(Br)=C2)N1 74694 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.29369 CN1C(=O)CCC2=CC(Br)=CN=C21 AT15604 [0,1,0,1,0,0|2,0,0]=4 69 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 D76767 [0,1,0,1,0,0|1,0,0]=3 70 B14R2.741 N[C@H]1CC2=C(C=CC=C2)CNC1=O AT22337 [0,1,0,1,0,0|1,0,0]=3 71 B14R2.741 N[C@H]1CC2=C(C=CC=C2)CNC1=O AT22338 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [1,0,0,0,1,0|2,0,0]=4 73 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [1,0,0,0,1,0|2,0,0]=4 74 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,1,0|0,0,0]=2 75 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [1,0,0,0,1,0|2,0,0]=4 76 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [1,0,0,0,1,0|2,0,0]=4 77 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [1,0,0,0,1,0|2,0,0]=4 78 B10R1.66 O=C(O)CCC1=NNC=C1 AT25833 [1,0,0,0,1,0|2,0,0]=4 79 B10R1.66 O=C(O)CCC1=NOC=C1 E72890 [1,0,0,0,1,0|2,0,0]=4